D023-0020 Screening compound: 5-(1-benzoylpiperidin-3-yl)-3-({[1,1'-biphenyl]-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

D023-0020 Screening compound: 5-(1-benzoylpiperidin-3-yl)-3-({[1,1'-biphenyl]-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
D023-0020 Screening compound: 5-(1-benzoylpiperidin-3-yl)-3-({[1,1'-biphenyl]-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D023-0020
5-(1-benzoylpiperidin-3-yl)-3-({[1,1'-biphenyl]-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D023-0020

Molecular Formula

C29H26N6O2 (C29 H26 N6 O2)

Compound Name

5-(1-benzoylpiperidin-3-yl)-3-({[1,1'-biphenyl]-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

IUPAC name

5-(1-benzoylpiperidin-3-yl)-3-({[11'-biphenyl]-4-yl}methyl)-3H-[123]triazolo[45-d]pyrimidin-7-ol

SMILES

Oc1c2nnn(Cc(cc3)ccc3-c3ccccc3)c2nc(C(CCC2)CN2C(c2ccccc2)=O)n1

InChI

InChI=1S/C29H26N6O2/c36-28-25-27(35(33-32-25)18-20-13-15-22(16-14-20)21-8-3-1-4-9-21)30-26(31-28)24-12-7-17-34(19-24)29(37)23-10-5-2-6-11-23/h1-6,8-11,13-16,24H,7,12,17-19H2,(H,30,31,36)/t24-/m0/s1

InChI Key

BYEAGNSKVUFBDT-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14810981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.018

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-4.29

Polar Surface Area

78.864

Acid Dissociation Constant (pKa)

6.67

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

D023-0020 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D023-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D023-0020?
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What is the minimum amount of D023-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D023-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D023-0020
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D023-0020 available by request